Compound Detail
CHEMBL32339
4,2',4',6'-TETRAMETHOXYCHALCONE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL32339 |
| Name | 4,2',4',6'-TETRAMETHOXYCHALCONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQNMAEHFTQBROH-JXMROGBWSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.62
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.71 | 4.71 | 19600.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.33 | 4.33 | 46600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of the production of Interleukin-1-beta from human peripheral blood m... | 8496911 |
| HepG2 | IC50 | = | 13500.0 | nM | 4.87 | Cytotoxicity against human HepG2 cells assessed as inhibition of cell proliferat... | 25629304 |
| RAW264.7 | IC50 | = | 15200.0 | nM | 4.82 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells | 17988874 |
| HeLa | IC50 | = | 19600.0 | nM | 4.71 | Cytotoxicity against human HeLa cells assessed as inhibition of cell proliferati... | 25629304 |
| A549 | IC50 | = | 46600.0 | nM | 4.33 | Cytotoxicity against human A549 cells assessed as inhibition of cell proliferati... | 25629304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17988874 | 10.1016/j.bmc.2007.10.039 | RAW264.7 | 2 |
| 10820110 | 10.1021/jf990282q | Spodoptera litura | 2 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | Fibroblast | 1 |
| 8496911 | 10.1021/jm00062a016 | Homo sapiens | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | HaCaT | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | NCI-H727 | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | PC-3 | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | HCT-116 | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | MDA-MB-231 | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | Caco-2 | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | Huh-7 | 1 |
| 26204510 | 10.1016/j.ejmech.2015.06.029 | NON-PROTEIN TARGET | 1 |
| 25629304 | 10.1021/jm5016507 | HepG2 | 1 |
| 25629304 | 10.1021/jm5016507 | A549 | 1 |
| 25629304 | 10.1021/jm5016507 | HeLa | 1 |
| 21757358 | 10.1016/j.bmc.2011.06.023 | Vero | 1 |
| 21757358 | 10.1016/j.bmc.2011.06.023 | Leishmania braziliensis | 1 |
| 17988874 | 10.1016/j.bmc.2007.10.039 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine